Geometry & MOs

Info

ID:	38963
PubChem CID:	8138251
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	365.083413
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	2.68
IP(EA), eV:	-9.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations